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IONIZATION CONSTANTS OF GINKGOLIDE B IN AQUEOUS SOLUTION

机译:银杏内酯B在水溶液中的电离常数

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摘要

The thermodynamic ionization constants (pK(a1), pK(a2), and pK(a3)) of ginkgolide B (9H-1,7a-(epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b] furo-[3',2':3,4]cyclopenta[1,2-d]-furan-5,9,12-(4H)-trione, 3-tert-butylhexahydro-4,7b,11-trihydroxy-8-methyl-) in aqueous solution have been settled by pH-metric and NMR studies, The three macroscopic pK(a) values as well as the water solubility and the water-octanol partition coefficient have been extracted from pH-metric data by means of a nonlinear regression methodology, NMR spectroscopy provided confirmation of the values of the macroscopic constants, information about the effective ionization pathways, and an estimation of the proportions of the various forms under physiologically relevant conditions.
机译:银杏内酯B(9H-1,7a-(epoxymethano)-1H,6aH-cyclopenta [c] furo [2,3-b]的热力学电离常数(pK(a1),pK(a2)和pK(a3)) ] furo- [3',2':3,4]环戊[1,2-d]-呋喃-5,9,12-(4H)-三酮,3-叔丁基六氢-4,7b,11-三羟基通过pH-metric和NMR研究确定了水溶液中的-8-甲基-),从pH-metric中提取了三个宏观pK(a)值以及水溶性和水/正辛醇分配系数通过非线性回归方法获得的数据,NMR光谱可确认宏观常数的值,有关有效电离途径的信息以及在生理相关条件下估算各种形式的比例。

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